sodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate

C20H34N3NaO3 — CID 153316584

IUPACsodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate
SMILES[N-]=[N+]=NC[C@H](O)CCC/C=C\CCCCCCC/C=C\CCCC(=O)[O-].[Na+]
InChIInChI=1S/C20H35N3O3.Na/c21-23-22-18-19(24)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20(25)26;/h8-11,19,24H,1-7,12-18H2,(H,25,26);/q;+1/p-1/b10-8-,11-9-;/t19-;/m1./s1
InChIKeyOXHCWJDMOJOAJT-WXINFZOISA-M
MW387.50 g/mol
LogP1.60
Rot. Bonds18

About sodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate

sodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate (PubChem CID 153316584) has the molecular formula C20H34N3NaO3 and a molecular weight of 387.50 g/mol. Its IUPAC name is sodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate.

Molecular Properties

Compound Namesodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate
PubChem CID153316584
Molecular FormulaC20H34N3NaO3
Molecular Weight387.50 g/mol
Exact Mass387.25
IUPAC Namesodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate
SMILES[N-]=[N+]=NC[C@H](O)CCC/C=C\CCCCCCC/C=C\CCCC(=O)[O-].[Na+]
InChIInChI=1S/C20H35N3O3.Na/c21-23-22-18-19(24)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20(25)26;/h8-11,19,24H,1-7,12-18H2,(H,25,26);/q;+1/p-1/b10-8-,11-9-;/t19-;/m1./s1
InChIKeyOXHCWJDMOJOAJT-WXINFZOISA-M
XLogP1.60
TPSA109.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

sodium (Z,12R)-12-hydroxyoctadec-9-enoate
CID 23687338
sodium;(5Z,14Z,19S)-19-hydroxyicosa-5,14-dienoate;methyl (5Z,14Z,19S)-19-hydroxyicosa-5,14-dienoate
CID 159437988
(5Z,14Z,19S)-20-azido-N-[4-[[2-(4-benzoylphenyl)acetyl]amino]phenyl]sulfonyl-19-hydroxyicosa-5,14-dienamide;sulfane
CID 160608435
potassium (Z)-4-hydroxyoctadec-9-enoate
CID 101326215
strontium bis((Z,12R)-12-hydroxyoctadec-9-enoate)
CID 139794810
potassium (12R)-12-hydroxyoctadec-9-enoate
CID 57353383
(5E,15Z)-icosa-5,15-dienoate
CID 154825312
(E)-tetradec-5-enoate
CID 22378170
icosa-5,15-dienoate
CID 57350570
1-azidohexan-2-ol
CID 11171039
potassium;(Z,12R)-12-hydroxyoctadec-9-enoate;hydrochloride
CID 140621012
aluminum;tris((Z,12R)-12-hydroxyoctadec-9-enoate);zinc
CID 173148136

Frequently Asked Questions

What is the IUPAC name of sodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate?
The IUPAC name of sodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate (CID 153316584) is sodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate.
What is the SMILES notation for sodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate?
The canonical SMILES for sodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate is [N-]=[N+]=NC[C@H](O)CCC/C=C\CCCCCCC/C=C\CCCC(=O)[O-].[Na+].
What is the InChIKey of sodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate?
The InChIKey is OXHCWJDMOJOAJT-WXINFZOISA-M. The full InChI is InChI=1S/C20H35N3O3.Na/c21-23-22-18-19(24)16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-20(25)26;/h8-11,19,24H,1-7,12-18H2,(H,25,26);/q;+1/p-1/b10-8-,11-9-;/t19-;/m1./s1.
What are the key properties of sodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate?
sodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate has a molecular weight of 387.50 g/mol, XLogP of 1.60, 18 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium (5Z,14Z,19R)-20-azido-19-hydroxyicosa-5,14-dienoate is sourced from PubChem (CID 153316584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).